[(2,2’-bipyridine)bis(2-phenylpyrazolinato-C²,N)iridium(III)] hexafluorophosphate | 872536-56-6

• 英文名称: [(2,2’-bipyridine)bis(2-phenylpyrazolinato-C²,N)iridium(III)] hexafluorophosphate
• 英文别名: [Ir(N-phenylpyrazole)₂(2,2'-bipyridine)][PF₆]；[Ir(ppz)₂bipy][PF₆]
• CAS: 872536-56-6
• 化学式: C₂₈H₂₂IrN₆*F₆P
• 分子量: 779.707
• InChiKey: QFNRUKKWMVUVKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-苯基吡唑 以 甲醇 、 二氯甲烷 、 乙二醇甲醚 、 水 为溶剂， 反应 20.0h， 生成 [(2,2’-bipyridine)bis(2-phenylpyrazolinato-C²,N)iridium(III)] hexafluorophosphate
  参考文献：
  名称：

  Iridium complexes inhibit tumor necrosis factor-α by utilizing light and mixed ligands

  摘要：

  We report herein a large study of the inhibition of tumor necrosis factor-alpha with 51 iridium(III) complexes, thus highlighting the influence of the nature of the ligands around the metal, their synergic effect and the role of the light. (C) 2016 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2016.02.001

文献信息

• Cationic Bis-cyclometalated Iridium(III) Diimine Complexes and Their Use in Efficient Blue, Green, and Red Electroluminescent Devices
  作者：Arnold B. Tamayo、Simona Garon、Tissa Sajoto、Peter I. Djurovich、Irina M. Tsyba、Robert Bau、Mark E. Thompson

  DOI：10.1021/ic050970t

  日期：2005.11.1

  luminescence both in fluid solution and as neat solids at 298 K that is assigned to emission from a triplet metal-ligand-to-ligand CT (3MLLCT) excited state. The energy of the 3MLLCT state varies in nearly direct proportion to the size of the electrochemical redox gap, which leads to emission colors that vary from red to blue. Three of the (C/N)2Ir(N/N)(+)PF6- complexes were used as active materials

  一系列具有通式（C / N）2Ir（N / N）（+）PF6-的阳离子Ir（III）配合物，具有双环金属化的1-苯基吡唑基-N，C2'（C / N）和中性二亚胺（合成了N / N，例如2,2'-联吡啶基）配体，并研究了它们的电化学，光物理和电致发光性质。密度泛函理论计算表明，化合物的最高占据分子轨道由Ir d和苯基吡唑基基轨道的混合物组成，而最低未占据分子轨道主要具有二亚胺特性。配合物的氧化和还原电位可通过用供体或受体取代基对C / N或N / N配体进行系统修饰而独立变化。将电化学氧化还原间隙（E（ox）-E（red））调整为介于2.39和3.08 V之间的范围。所有化合物在分配给1（pi-pi *）跃迁的UV区域均具有强烈的吸收带，并且延伸至可见光区域的电荷转移（CT）跃迁较弱。该络合物在流体溶液中和在298 K时均呈纯固体形式均显示出强烈的发光，该发光被赋予从三重态金属-配体到配体C
• Tuning emission wavelength and redox properties through position of the substituent in iridium(<scp>iii</scp>) cyclometallated complexes
  作者：David L. Davies、Mark P. Lowe、Karl S. Ryder、Kuldip Singh、Shalini Singh

  DOI：10.1039/c0dt01311k

  日期：——

  Cyclometallated phenyls with substituents para to the metal have a larger impact on the redox potentials and emission of complexes [Ir(R-ppz)2(bipy)][PF6] than substituents at the meta position and hence enable tuning of emission wavelength over a wider range using the same substituent.

  与位于元位置的取代基相比，带有金属对位取代基的环金属化苯基对[Ir(R-ppz)2(bipy)][PF6]配合物的氧化还原电位和发射影响更大，因此可以使用相同的取代基在更大范围内调节发射波长。
• 2‐Thiophenyl–Isoquinoline Ir(III) Complex: A Promising Tool in Antipseudomonal Photodynamic Therapy under Red Irradiation
  作者：Julien Renault、Julie Couchot、Aline L. Faucon、Jean‐Luc Renaud、Gaëtan L. A. Mislin、Patrick Plésiat、Sylvain Gaillard

  DOI：10.1002/ejic.202300767

  日期：2024.5.13

  Innovative therapeutic strategies are more than ever needed to counter the rise of antibiotic‐resistant bacterial pathogens worldwide. The use of light, and especially photodynamic therapy (PDT) appears as a promising alternative or complement to antibiotic treatments, fostered by the development of new photosensitizers. In this study, eight luminescent Ir(III) complexes were synthesized and evaluated for their photoactivation properties and capacity to generate radical species under blue (452 nm), green (525 nm), and red (631 nm) LED light, respectively. Their antibacterial properties were assessed on Pseudomonas aeruginosa, Acinetobacter baumannii, Escherichia coli, and Staphylococcus aureus with most of these complexes exhibiting potentially useful activities upon light irradiation, at concentrations below 10 mg/L. A complex of Ir(III) cyclometallated to thiophenyl‐isoquinoline (tiq) and bearing 2,2’‐bipyridine (bipy) as ancillary ligand was further investigated. This latter showed a concentration‐ and light intensity‐dependent bactericidal activity on P. aeruginosa when irradiated under blue to red lights, proving that such complexes would be suitable candidates for PDT. Importantly, this lead complex remained active against antibiotic resistant clinical strains and was unaffected by active efflux systems. These data open interesting perspectives for the development of new treatments to tackle antibiotic resistant Gram‐negative bacteria.